0 mol 4 unq 0 iso 0 dist 5.39008 6.10734 5.12621 10.8791 10.1887 7.35416 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.3538 9.44587 8.85246 7.00815 11.3579 8.47217 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.67141 6.67079 4.57655 9.70906 12.3851 8.5315 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.46895 6.19304 12.7517 6.44044 8.07997 8.5315 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.225 4.73362 4.98309 4.72225 13.4411 8.95905 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.37449 7.3795 7.75939 8.81518 13.2799 8.95905 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 9.52666 7.3795 4.98309 8.81518 13.4411 8.95905 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.88143 6.04768 12.9271 4.81103 7.67564 7.14031 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.62952 6.04768 12.2431 4.81103 8.60103 7.14031 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.3521 9.40173 12.2431 7.22196 8.60103 7.14031 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.44933 8.2793 6.58625 6.27138 10.7546 6.11502 numMergedOcc 0
11 mol 125 unq 1 iso 0 dist 8.44933 8.2793 6.58625 5.61158 8.74577 6.33431 numMergedOcc 0
12 mol 125 unq 2 iso 0 dist 7.43803 8.2793 6.67445 6.27138 9.94322 6.11502 numMergedOcc 0
13 mol 125 unq 3 iso 0 dist 7.43803 8.2793 6.67445 5.61158 9.7728 6.33431 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.5614 7.38183 9.5453 14.0112 13.1958 6.75376 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 5.50879 8.32841 5.6621 5.309 8.75305 8.21184 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 5.50879 8.32841 5.6621 6.07262 5.13522 5.9976 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 5.50879 6.00295 6.65278 5.309 8.75305 5.41575 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 5.50879 6.00295 6.65278 6.07262 5.13522 6.86566 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 6.69157 6.56065 5.6621 11.9245 8.75305 8.21184 numMergedOcc 0
20 mol 156 unq 5 iso 0 dist 6.69157 6.56065 5.6621 6.25291 5.13522 5.9976 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 6.3981 9.87543 6.27876 8.33986 5.99212 9.7361 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.49577 6.65725 8.87236 4.84884 12.0267 7.54099 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.6409 8.09667 4.93748 5.96605 8.53237 6.21159 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.71993 6.28889 9.08423 9.7127 16.3354 9.40801 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 8.24741 6.82883 4.66376 4.97624 6.45143 5.70795 numMergedOcc 0
26 mol 226 unq 1 iso 0 dist 5.07958 8.22518 4.66376 5.55393 6.45143 5.70795 numMergedOcc 0
27 mol 226 unq 2 iso 0 dist 6.19519 6.02803 4.66376 9.35407 6.45143 5.70795 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 6.72105 6.71099 5.0625 7.46856 11.097 9.78181 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 7.96569 6.71099 4.86592 7.46856 13.5987 9.78181 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.77828 8.52162 4.04422 6.32646 6.80544 5.92374 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 6.2667 5.60146 4.89551 6.44798 11.4714 7.95359 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 6.2667 5.60146 4.89551 11.4169 10.2667 6.22122 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 9.92947 9.31961 9.96775 11.1373 15.5757 6.37963 numMergedOcc 0
34 mol 256 unq 1 iso 0 dist 9.92947 9.31961 9.96775 12.3321 15.1085 6.00636 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 7.84151 8.16005 11.4694 5.63899 9.16554 7.16346 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 7.85797 8.16005 4.73332 5.63899 9.65597 7.16346 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.40125 7.88238 11.8 13.008 14.3257 8.20644 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.52438 10.6514 6.95912 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.52438 10.6514 6.95912 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.52438 10.6514 6.95912 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 9.60309 8.18174 5.09064 7.37725 10.6137 8.25485 numMergedOcc 0
